UCSF

ZINC42813942

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 16 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) 0.88 2.18 -7.1 3 5 0 65 224.308 3
Mid Mid (pH 6-8) 0.88 2.3 -25.26 4 5 1 66 225.316 3

Activity (Go SEA)

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