UCSF

ZINC23130623

Substance Information

In ZINC since Heavy atoms Benign functionality
December 26th, 2008 28 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) 4.43 10.58 -8.7 1 3 0 32 375.422 3
Mid Mid (pH 6-8) 4.43 10.99 -36.68 2 3 1 33 376.43 3
Lo Low (pH 4.5-6) 4.43 12.65 -113.22 3 3 2 34 377.438 3

Activity (Go SEA)

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