UCSF

ZINC42776301

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 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) 3.17 8.21 -11.09 0 3 0 30 301.308 8
Mid Mid (pH 6-8) 3.17 10.11 -41.2 1 3 1 31 302.316 8

Activity (Go SEA)

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