UCSF

ZINC13990709

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2008 23 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) 2.33 8.52 -40.19 1 4 1 30 314.453 9
Mid Mid (pH 6-8) 2.33 8.5 -88.85 2 4 2 31 315.461 9
Lo Low (pH 4.5-6) 2.33 10.95 -197.99 3 4 3 32 316.469 9

Activity (Go SEA)

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