UCSF

ZINC09423653

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 29 No

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) 3.15 7.41 -10.95 0 5 0 56 388.398 3
Lo Low (pH 4.5-6) 3.15 1.62 -131.09 2 5 2 58 390.414 3

Activity (Go SEA)

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