UCSF

ZINC38809086

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2010 17 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) 2.53 7.32 -122 4 2 2 32 254.805 3
Hi High (pH 8-9.5) 2.53 6.97 -35.22 3 2 1 30 253.797 3
Mid Mid (pH 6-8) 2.53 5.41 -43.69 3 2 1 31 253.797 3

Activity (Go SEA)

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