UCSF

ZINC37002584

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 18 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) 0.90 6.13 -49.5 3 5 1 64 245.306 5
Hi High (pH 8-9.5) 0.90 4.7 -13.77 2 5 0 59 244.298 5
Mid Mid (pH 6-8) 0.90 6.64 -90.13 4 5 2 65 246.314 5

Activity (Go SEA)

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