UCSF

ZINC02572650

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 19 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) -0.85 -11.2 -16.03 5 9 0 139 267.245 2
Lo Low (pH 4.5-6) -0.85 -11.06 -33.64 6 9 1 140 268.253 2
Lo Low (pH 4.5-6) -0.85 -11.05 -39.55 6 9 1 140 268.253 2

Activity (Go SEA)

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