UCSF

ZINC23411479

Substance Information

In ZINC since Heavy atoms Benign functionality
December 31st, 2008 25 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) 2.21 9.07 -64.19 2 5 1 51 335.431 4
Mid Mid (pH 6-8) 2.21 6.75 -19.01 1 5 0 50 334.423 4
Mid Mid (pH 6-8) 2.21 7.53 -34.59 2 5 1 51 335.431 4

Activity (Go SEA)

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