UCSF

ZINC37824767

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 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) 0.36 3.8 -46.35 3 5 1 70 280.392 8
Hi High (pH 8-9.5) 0.36 3.48 -12.52 2 5 0 68 279.384 8
Lo Low (pH 4.5-6) 0.36 4.21 -89.48 4 5 2 71 281.4 8

Activity (Go SEA)

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