UCSF

ZINC19889674

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 32 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) 4.12 9.48 -50.2 2 6 1 56 435.544 8
Mid Mid (pH 6-8) 4.12 9.42 -48.05 2 6 1 56 435.544 8
Mid Mid (pH 6-8) 4.12 7.1 -11.26 1 6 0 54 434.536 8

Activity (Go SEA)

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