UCSF

ZINC41649848

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 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) 6.30 10.53 -35.3 2 1 1 17 430.126 4
Mid Mid (pH 6-8) 6.30 9.9 -1.96 1 1 0 12 429.118 4

Activity (Go SEA)

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