UCSF

ZINC06118709

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2006 15 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) -1.20 1.17 -32.12 3 5 0 94 206.201 3
Hi High (pH 8-9.5) -1.20 0.79 -46.53 2 5 -1 92 205.193 3

Activity (Go SEA)

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