UCSF

ZINC20010201

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 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) 3.80 10.38 -105.05 3 2 2 21 256.478 8
Hi High (pH 8-9.5) 3.80 8.08 -37.54 2 2 1 20 255.47 8
Hi High (pH 8-9.5) 3.80 9.08 -33.15 2 2 1 16 255.47 8

Activity (Go SEA)

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