UCSF

ZINC34578434

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 28 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) 7.04 13.76 -17.71 0 2 0 26 360.46 2
Lo Low (pH 4.5-6) 7.04 14.18 -25.83 1 2 1 27 361.468 2

Activity (Go SEA)

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