UCSF

ZINC37222045

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 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) 1.56 9.82 -106.68 3 4 2 39 266.433 7
Mid Mid (pH 6-8) 1.56 10.33 -164.82 4 4 3 40 267.441 7

Activity (Go SEA)

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