UCSF

ZINC52304290

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 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) 1.55 5.73 -50.96 3 4 1 55 311.203 6
Hi High (pH 8-9.5) 1.55 5.33 -7.27 2 4 0 53 310.195 6
Mid Mid (pH 6-8) 1.55 6.07 -107.12 4 4 2 56 312.211 6

Activity (Go SEA)

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