UCSF

ZINC05013471

Substance Information

In ZINC since Heavy atoms Benign functionality
January 16th, 2006 26 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) 3.17 8.42 -40.9 0 5 -1 70 415.263 6
Mid Mid (pH 6-8) 3.62 -1.4 -24.76 1 5 0 66 416.271 5
Mid Mid (pH 6-8) 2.59 -1.09 -19.28 0 5 0 63 416.271 6

Activity (Go SEA)

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