UCSF

ZINC07125483

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2006 22 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) 3.84 9.87 -44.4 4 5 1 67 333.202 1
Mid Mid (pH 6-8) 3.71 9.42 -17.25 3 5 0 68 332.194 1

Activity (Go SEA)

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