UCSF

ZINC70303425

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2011 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) 0.69 5.82 -69.47 2 5 0 77 252.314 5
Hi High (pH 8-9.5) 0.69 4.38 -51.3 1 5 -1 72 251.306 5
Lo Low (pH 4.5-6) 0.69 3.63 -44.02 3 5 1 74 253.322 5

Activity (Go SEA)

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