UCSF

ZINC00173061

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 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) 2.33 7.1 -10.19 1 4 0 51 239.278 1
Ref Reference (pH 7) 2.79 5.33 -14.26 1 4 0 51 239.278 1
Lo Low (pH 4.5-6) 2.33 7.51 -36.28 2 4 1 52 240.286 1

Activity (Go SEA)

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