UCSF

ZINC37037711

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 1.82 4.18 -48.81 3 4 1 51 270.441 8
Mid Mid (pH 6-8) 1.82 6.4 -117.89 4 4 2 52 271.449 8

Activity (Go SEA)

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