UCSF

ZINC19362166

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 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) 0.90 1.65 -35.65 2 4 1 31 256.414 5
Hi High (pH 8-9.5) 0.90 1.67 -36.8 2 4 1 31 256.414 5
Mid Mid (pH 6-8) 0.90 3.8 -80.98 3 4 2 32 257.422 5
Lo Low (pH 4.5-6) 0.90 3.93 -101.74 3 4 2 32 257.422 5

Activity (Go SEA)

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