UCSF

ZINC29871633

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2009 21 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) -0.21 2.4 -22.48 1 7 0 88 291.307 1
Mid Mid (pH 6-8) 0.25 1.27 -48.87 0 7 -1 92 290.299 1

Activity (Go SEA)

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