UCSF

ZINC37047055

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 19 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) 1.78 5.95 -45.19 4 3 1 57 385.079 3
Mid Mid (pH 6-8) 1.78 5.62 -7.02 3 3 0 55 384.071 3

Activity (Go SEA)

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