UCSF

ZINC19506805

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 18 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) -0.24 3.65 -88.82 3 5 2 45 256.394 4
Hi High (pH 8-9.5) -0.24 0.07 -8.26 1 5 0 39 254.378 4
Mid Mid (pH 6-8) -0.24 3.67 -99.97 3 5 2 45 256.394 4
Mid Mid (pH 6-8) -0.24 2.36 -36.82 2 5 1 40 255.386 4

Activity (Go SEA)

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