UCSF

ZINC53144016

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 19 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) 2.96 9.01 -43.62 3 1 1 28 323.229 3
Mid Mid (pH 6-8) 2.96 8.93 -3.42 2 1 0 26 322.221 3

Activity (Go SEA)

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