UCSF

ZINC34310301

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2009 22 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) 2.79 5.33 -43.5 3 4 1 54 300.378 3
Mid Mid (pH 6-8) 2.79 3.55 -7.56 2 4 0 53 299.37 3

Activity (Go SEA)

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