UCSF

ZINC44901373

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 21 No

Popular Name: (4S)-4-(3-hydroxy-4-methoxy-phenyl)-3-methyl-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-ol (4S)-4-(3-hydroxy-4-methoxy-phen…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.23 -0.01 -9.55 3 6 0 91 305.359 2 ↓
Ref Reference (pH 7) 1.05 2.44 -9.94 3 6 0 87 305.359 2 ↓
Mid Mid (pH 6-8) 1.05 2.38 -11.35 3 6 0 87 305.359 2 ↓
Mid Mid (pH 6-8) 1.23 -0.08 -11.72 3 6 0 91 305.359 2 ↓

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )