UCSF

ZINC06752969

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2006 27 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) 4.34 8.22 -12.3 2 5 0 69 365.408 5
Mid Mid (pH 6-8) 4.34 8.99 -51.13 1 5 -1 72 364.4 5

Activity (Go SEA)

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