UCSF

ZINC19814261

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 20 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) -0.20 5.2 -54.76 3 5 1 85 275.376 7
Mid Mid (pH 6-8) -0.20 4.9 -11.29 2 5 0 83 274.368 7
Lo Low (pH 4.5-6) -0.20 5.64 -108.26 4 5 2 86 276.384 7

Activity (Go SEA)

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