UCSF

ZINC37173756

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 18 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) 2.32 7.79 -37.92 2 4 1 38 253.414 7
Hi High (pH 8-9.5) 2.32 6.41 -4.52 1 4 0 33 252.406 7
Mid Mid (pH 6-8) 2.32 7.93 -92.07 3 4 2 39 254.422 7

Activity (Go SEA)

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