UCSF

ZINC01234277

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2004 23 No

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Vendors

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) 3.35 2.81 -15.55 3 6 0 95 439.063 2
Mid Mid (pH 6-8) 3.81 1.21 -39.62 2 6 -1 98 438.055 2
Mid Mid (pH 6-8) 3.81 0.9 -50.24 2 6 -1 98 438.055 2

Activity (Go SEA)

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