UCSF

ZINC37038422

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) -1.48 3.51 -110 4 6 2 70 267.377 5
Mid Mid (pH 6-8) -1.48 1.31 -50.7 3 6 1 69 266.369 5

Activity (Go SEA)

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