UCSF

ZINC55341987

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2010 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) 4.15 8.78 -40.06 2 4 1 37 381.54 6
Hi High (pH 8-9.5) 4.15 6.9 -5.95 1 4 0 36 380.532 6
Hi High (pH 8-9.5) 4.15 9.52 -35.53 2 4 1 37 381.54 6

Activity (Go SEA)

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