UCSF

ZINC65397804

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2011 23 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) 3.15 11.71 -38.7 2 3 1 31 304.417 5
Mid Mid (pH 6-8) 3.15 11.53 -7.09 1 3 0 30 303.409 5
Lo Low (pH 4.5-6) 3.15 12.61 -116.82 3 3 2 36 305.425 5

Activity (Go SEA)

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