UCSF

ZINC37996407

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 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) 2.96 4.63 -9.45 2 4 0 62 307.147 2
Hi High (pH 8-9.5) 2.96 6.12 -35.83 2 4 0 66 307.147 2
Mid Mid (pH 6-8) 2.96 5.64 -49.79 1 4 -1 65 306.139 2
Lo Low (pH 4.5-6) 2.96 5.11 -38.83 3 4 1 63 308.155 2

Activity (Go SEA)

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