UCSF

ZINC61378008

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2011 16 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) 0.88 3.12 -36.46 4 4 1 52 224.328 7
Mid Mid (pH 6-8) 0.88 0.69 -4.74 3 4 0 51 223.32 7
Lo Low (pH 4.5-6) 0.88 2.97 -86.24 5 4 2 53 225.336 7

Activity (Go SEA)

Rings

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