UCSF

ZINC37865309

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2009 13 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) 0.24 4.85 -32.04 2 3 0 57 199.172 6
Mid Mid (pH 6-8) 0.24 3.72 -43.69 1 3 -1 52 198.164 6

Activity (Go SEA)

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