UCSF

ZINC36792540

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) -1.69 -0.48 -13.9 3 7 0 106 253.258 2
Hi High (pH 8-9.5) -1.23 -3.01 -50.35 2 7 -1 109 252.25 2
Mid Mid (pH 6-8) -1.23 -2.38 -37.39 2 7 -1 109 252.25 2

Activity (Go SEA)

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