UCSF

ZINC35142735

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 18 No

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) -1.04 0.83 -51.92 3 6 1 69 255.342 5
Hi High (pH 8-9.5) -1.04 -0.51 -16.72 2 6 0 65 254.334 5
Mid Mid (pH 6-8) -1.04 3.18 -108.7 4 6 2 70 256.35 5
Mid Mid (pH 6-8) -1.04 1.84 -53.27 3 6 1 66 255.342 5

Activity (Go SEA)

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