UCSF

ZINC33578045

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) 2.90 5.97 -16.27 3 7 0 96 416.481 8
Mid Mid (pH 6-8) 2.90 6.43 -42 4 7 1 97 417.489 8

Activity (Go SEA)

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