UCSF

ZINC34960392

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 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) 0.19 2.8 -50.05 3 4 1 51 230.376 8
Mid Mid (pH 6-8) 0.19 4.22 -33.67 3 4 1 51 230.376 8

Activity (Go SEA)

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