UCSF

ZINC16034528

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2008 30 No

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Annotations

None

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) 3.41 7.52 -15.73 2 7 0 127 401.47 5
Mid Mid (pH 6-8) 3.50 8.84 -120.76 3 7 2 128 403.486 5
Lo Low (pH 4.5-6) 3.41 7.36 -52.5 3 7 1 129 402.478 5

Activity (Go SEA)

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