UCSF

ZINC34478996

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 14 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) -1.48 -0.02 -164.71 7 4 3 63 205.37 9
Mid Mid (pH 6-8) -1.48 -2.35 -90.14 6 4 2 62 204.362 9
Lo Low (pH 4.5-6) -1.48 2.29 -280.01 8 4 4 64 206.378 9

Activity (Go SEA)

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