UCSF

ZINC36777707

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 15 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) 0.75 6.14 -112.21 3 3 2 34 207.321 4
Hi High (pH 8-9.5) 0.75 3.64 -35.21 2 3 1 33 206.313 4
Mid Mid (pH 6-8) 0.75 3.71 -85.16 3 3 2 34 207.321 4
Mid Mid (pH 6-8) 0.75 4.77 -33.63 2 3 1 29 206.313 4

Activity (Go SEA)

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