UCSF

ZINC23560764

Substance Information

In ZINC since Heavy atoms Benign functionality
January 4th, 2009 30 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) 1.88 9.75 -15.32 2 8 0 110 429.546 6
Mid Mid (pH 6-8) 2.34 7.96 -56.6 1 8 -1 113 428.538 6

Activity (Go SEA)

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