UCSF

ZINC20361588

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 13 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) 0.21 4.29 -40.1 2 3 1 40 180.275 3
Lo Low (pH 4.5-6) 0.21 5.48 -125.91 3 3 2 45 181.283 3

Activity (Go SEA)

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