UCSF

ZINC34081026

Substance Information

In ZINC since Heavy atoms Benign functionality
August 10th, 2009 27 No

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) 6.62 13.5 -47.63 0 2 -1 40 367.553 2
Mid Mid (pH 6-8) 6.62 11.71 -4.35 1 2 0 37 368.561 2

Activity (Go SEA)

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