UCSF

ZINC19844697

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 17 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) 1.25 6.08 -102.12 3 5 1 71 238.311 7
Hi High (pH 8-9.5) 1.25 3.42 -49.34 1 5 -1 68 236.295 7
Mid Mid (pH 6-8) 1.25 5.62 -77.41 2 5 0 69 237.303 7

Activity (Go SEA)

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