UCSF

ZINC37172317

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 21 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 6.64 -46.87 4 5 1 72 307.443 6
Mid Mid (pH 6-8) 2.57 5.83 -40.18 3 5 0 79 306.435 6

Activity (Go SEA)

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