UCSF

ZINC02916058

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2004 24 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) 4.54 13.08 -12.95 0 4 0 43 357.244 2
Mid Mid (pH 6-8) 4.54 13.55 -31.99 1 4 1 44 358.252 2
Lo Low (pH 4.5-6) 4.54 13.42 -40.6 1 4 1 45 358.252 2

Activity (Go SEA)

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