UCSF

ZINC33700951

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 35 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) 3.65 9.35 -40.54 1 8 -1 120 491.545 6
Lo Low (pH 4.5-6) 3.65 8.21 -22.12 2 8 0 117 492.553 6

Activity (Go SEA)

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