UCSF

ZINC36723143

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 13 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) -0.85 4.18 -36.35 2 4 0 70 180.207 4
Hi High (pH 8-9.5) -0.85 3.09 -46.14 1 4 -1 65 179.199 4

Activity (Go SEA)

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