UCSF

ZINC41391925

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2010 15 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) 3.13 9.38 -33.22 1 1 1 4 202.321 1
Mid Mid (pH 6-8) 3.13 7.17 -2.27 0 1 0 3 201.313 1

Activity (Go SEA)

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