UCSF

ZINC70616740

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2011 14 No

Download: MOL2 SDF SMILES Flexibase

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) 0.08 -0 -63.28 2 4 1 60 220.314 3
Mid Mid (pH 6-8) 0.08 -0.95 -13.26 1 4 0 55 219.306 3

Activity (Go SEA)

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