UCSF

ZINC26469966

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 26 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) 4.35 7.46 -14.67 2 7 0 79 360.506 8
Lo Low (pH 4.5-6) 4.35 7.87 -26.21 3 7 1 80 361.514 8

Activity (Go SEA)

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