UCSF

ZINC37267165

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 17 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) 1.35 0.62 -38.23 4 4 1 57 237.323 3
Hi High (pH 8-9.5) 1.35 0.22 -33.47 3 4 0 63 236.315 3
Lo Low (pH 4.5-6) 1.35 1.85 -107.04 5 4 2 61 238.331 3

Activity (Go SEA)

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