UCSF

ZINC06315440

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2006 28 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) 1.33 7.7 -41.23 0 7 -1 99 395.395 4
Mid Mid (pH 6-8) 1.78 6.21 -25.44 1 7 0 96 396.403 3
Mid Mid (pH 6-8) 0.75 7.25 -14.31 0 7 0 93 396.403 4

Activity (Go SEA)

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