UCSF

ZINC37112544

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 1.21 2.19 -45.99 3 3 1 40 215.361 6
Hi High (pH 8-9.5) 1.21 1.77 -1.86 2 3 0 38 214.353 6
Mid Mid (pH 6-8) 1.21 3.43 -29.45 3 3 1 40 215.361 6
Mid Mid (pH 6-8) 1.21 3.23 -117.96 4 3 2 41 216.369 6

Activity (Go SEA)

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