UCSF

ZINC23140523

Substance Information

In ZINC since Heavy atoms Benign functionality
December 26th, 2008 25 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) 2.44 8.32 -42.05 2 5 1 50 357.503 6
Mid Mid (pH 6-8) 3.01 7.53 -33.13 2 5 1 53 357.503 5
Mid Mid (pH 6-8) 2.26 7.12 -34.87 1 5 0 56 356.495 6
Mid Mid (pH 6-8) 2.44 6.05 -9.24 1 5 0 48 356.495 6

Activity (Go SEA)

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