UCSF

ZINC34991930

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 20 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) 3.04 7.68 -32.84 2 3 1 29 277.432 7
Mid Mid (pH 6-8) 3.04 8.2 -27.4 2 3 1 26 277.432 7
Lo Low (pH 4.5-6) 3.04 9.49 -108.5 3 3 2 30 278.44 7

Activity (Go SEA)

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