UCSF

ZINC37188722

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 21 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) 2.79 7.87 -50.05 2 2 1 20 311.49 6
Hi High (pH 8-9.5) 2.79 6.48 -5.1 1 2 0 15 310.482 6
Mid Mid (pH 6-8) 2.79 8.72 -35.97 2 2 1 16 311.49 6
Lo Low (pH 4.5-6) 2.79 9.91 -131.8 3 2 2 21 312.498 6

Activity (Go SEA)

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