UCSF

ZINC37806166

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 0.93 0.81 -57.19 4 6 1 80 297.423 4
Mid Mid (pH 6-8) 0.93 1.23 -13.33 3 6 0 79 296.415 4
Mid Mid (pH 6-8) 0.93 2.94 -124 5 6 2 81 298.431 4

Activity (Go SEA)

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