UCSF

ZINC12956474

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2008 16 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) 1.79 3.53 -12.12 1 3 0 50 213.236 3
Lo Low (pH 4.5-6) 1.79 3.74 -35.37 2 3 1 51 214.244 3

Activity (Go SEA)

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