UCSF

ZINC40554413

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2010 22 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) 2.23 7.12 -41.13 2 4 1 37 302.442 4
Mid Mid (pH 6-8) 2.23 6.99 -45.26 2 4 1 37 302.442 4
Mid Mid (pH 6-8) 2.23 4.74 -8.22 1 4 0 36 301.434 4

Activity (Go SEA)

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