UCSF

ZINC23362513

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 29 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) 3.88 8.51 -27.39 1 7 0 92 430.555 8
Mid Mid (pH 6-8) 3.95 7.62 -54.78 0 7 -1 99 429.547 8

Activity (Go SEA)

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