UCSF

ZINC05156266

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 26 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) 3.23 10.02 -19.6 0 7 0 74 369.812 4
Mid Mid (pH 6-8) 3.24 10.26 -32.21 2 7 1 79 370.82 4

Activity (Go SEA)

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