UCSF

ZINC70616934

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2011 12 Yes

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) 0.18 -1.03 -42.81 4 4 1 69 173.236 4
Mid Mid (pH 6-8) 0.18 -2.08 -8.2 3 4 0 64 172.228 4

Activity (Go SEA)

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