UCSF

ZINC16905079

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2008 18 No

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) 1.86 4.5 -17.84 2 4 0 61 257.318 1
Mid Mid (pH 6-8) 1.86 4.54 -42.7 1 4 -1 58 256.31 1

Activity (Go SEA)

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