UCSF

ZINC34960322

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 18 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) 0.93 4.61 -102.36 5 4 2 61 251.374 7
Mid Mid (pH 6-8) 0.93 4.23 -35.31 4 4 1 60 250.366 7

Activity (Go SEA)

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