UCSF

ZINC33260871

Substance Information

In ZINC since Heavy atoms Benign functionality
May 26th, 2009 37 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) 5.04 10.94 -54.07 1 8 -1 98 495.559 7
Mid Mid (pH 6-8) 5.04 11.2 -48.59 2 8 0 99 496.567 7

Activity (Go SEA)

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