UCSF

ZINC40528206

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2010 21 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) 2.31 4.93 -42.15 2 4 1 51 317.381 3
Hi High (pH 8-9.5) 2.31 2.69 -8.12 1 4 0 49 316.373 3
Hi High (pH 8-9.5) 2.31 5.2 -35.05 1 4 0 53 316.373 3

Activity (Go SEA)

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