UCSF

ZINC33813057

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 22 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) 3.56 7.85 -14.1 1 4 0 63 433.311 4
Mid Mid (pH 6-8) 3.56 8.07 -48.76 0 4 -1 65 432.303 4

Activity (Go SEA)

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