UCSF

ZINC22931765

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 27 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) 2.68 9.3 -49.42 1 4 1 33 361.513 7
Hi High (pH 8-9.5) 2.68 7.17 -8.44 0 4 0 32 360.505 7
Mid Mid (pH 6-8) 2.68 9.49 -40.49 1 4 1 33 361.513 7
Lo Low (pH 4.5-6) 2.68 9.96 -91.75 2 4 2 35 362.521 7

Activity (Go SEA)

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