UCSF

ZINC36788780

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) 2.51 6.4 -108.41 4 3 2 35 291.483 7
Hi High (pH 8-9.5) 2.51 7.2 -35.64 3 3 1 34 290.475 7
Mid Mid (pH 6-8) 2.51 3.96 -42.27 3 3 1 34 290.475 7
Mid Mid (pH 6-8) 2.51 4.76 -1.8 2 3 0 32 289.467 7
Mid Mid (pH 6-8) 2.51 4.26 -121.72 4 3 2 35 291.483 7
Mid Mid (pH 6-8) 2.51 6.06 -31.66 3 3 1 34 290.475 7

Activity (Go SEA)

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