UCSF

ZINC19636425

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 23 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) 3.35 11.27 -87.74 2 3 2 12 319.537 9
Hi High (pH 8-9.5) 3.35 9.04 -39.18 1 3 1 11 318.529 9

Activity (Go SEA)

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