UCSF

ZINC08737956

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 33 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) 1.79 8.84 -78.43 1 9 0 106 458.511 10
Mid Mid (pH 6-8) 1.21 2.83 -54.68 1 9 1 99 459.519 10

Activity (Go SEA)

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