UCSF

ZINC70736489

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2011 16 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) 2.75 7.4 -108.89 4 2 2 32 226.408 8
Mid Mid (pH 6-8) 2.75 7.13 -28.97 3 2 1 30 225.4 8

Activity (Go SEA)

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