UCSF

ZINC04170944

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 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) 4.84 12.17 -4.22 0 3 0 29 360.299 1
Lo Low (pH 4.5-6) 4.84 12.64 -30.79 1 3 1 30 361.307 1

Activity (Go SEA)

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