UCSF

ZINC13152417

Substance Information

In ZINC since Heavy atoms Benign functionality
May 31st, 2008 25 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) 1.99 9.53 -11.73 2 8 0 97 340.387 5
Mid Mid (pH 6-8) 1.99 10.04 -31.82 3 8 1 98 341.395 5

Activity (Go SEA)

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