UCSF

ZINC19634582

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 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) 2.80 6.95 -36.96 1 2 1 8 241.786 6
Hi High (pH 8-9.5) 2.80 4.95 -2.32 0 2 0 6 240.778 6
Mid Mid (pH 6-8) 2.80 7.16 -36.98 1 2 1 8 241.786 6
Lo Low (pH 4.5-6) 2.80 9.5 -112.25 2 2 2 9 242.794 6

Activity (Go SEA)

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