UCSF

ZINC37793217

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) -0.03 2.1 -53.92 1 6 -1 82 255.294 5
Mid Mid (pH 6-8) -0.03 4.5 -47.99 2 6 0 83 256.302 5
Lo Low (pH 4.5-6) -0.03 2.7 -46.82 3 6 1 80 257.31 5

Activity (Go SEA)

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