UCSF

ZINC33346736

Substance Information

In ZINC since Heavy atoms Benign functionality
May 30th, 2009 29 No

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) 2.46 8.34 -34.22 2 10 0 142 410.415 7
Mid Mid (pH 6-8) 2.53 7.45 -64.99 1 10 -1 148 409.407 7

Activity (Go SEA)

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