UCSF

ZINC19801742

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 28 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) 5.64 10.34 -39.09 2 3 1 28 509.477 4
Mid Mid (pH 6-8) 5.64 8.75 -5.44 1 3 0 27 508.469 4
Mid Mid (pH 6-8) 5.64 11.14 -37.17 2 3 1 28 509.477 4

Activity (Go SEA)

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