UCSF

ZINC60023636

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 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) 2.58 6.84 -34.03 2 3 1 29 222.356 4
Hi High (pH 8-9.5) 2.58 4.51 -4.33 1 3 0 28 221.348 4
Mid Mid (pH 6-8) 2.58 7.31 -83.2 3 3 2 31 223.364 4

Activity (Go SEA)

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