UCSF

ZINC11915270

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2008 28 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) 4.34 -0.02 -11.68 1 5 0 67 444.325 6
Mid Mid (pH 6-8) 3.76 -0.11 -18.86 0 5 0 64 444.325 6

Activity (Go SEA)

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