UCSF

ZINC33578144

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2009 31 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) 4.20 8.96 -12 3 6 0 87 414.509 6
Mid Mid (pH 6-8) 4.20 9.22 -35.37 4 6 1 88 415.517 6

Activity (Go SEA)

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