UCSF

ZINC34980038

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 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) 3.90 10.29 -14.68 0 3 0 35 343.224 3
Mid Mid (pH 6-8) 3.90 10.72 -34.85 1 3 1 36 344.232 3

Activity (Go SEA)

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