UCSF

ZINC00705853

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 28 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) 4.68 1.52 -7.65 3 4 0 68 419.35 4
Lo Low (pH 4.5-6) 4.68 1.56 -39.66 4 4 1 69 420.358 4

Activity (Go SEA)

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