UCSF

ZINC42775252

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 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) 2.17 8.2 -41.03 1 3 1 31 268.352 8
Mid Mid (pH 6-8) 2.17 6.04 -10.08 0 3 0 30 267.344 8

Activity (Go SEA)

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