UCSF

ZINC58160896

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2011 22 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) 0.93 7.5 -45.84 2 5 1 54 306.43 4
Hi High (pH 8-9.5) 0.93 5.12 -11.95 1 5 0 53 305.422 4

Activity (Go SEA)

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