UCSF

ZINC21800103

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 30 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) 3.06 10.23 -21.95 1 6 0 55 399.498 4
Mid Mid (pH 6-8) 3.06 12.45 -57.17 2 6 1 56 400.506 4
Mid Mid (pH 6-8) 3.06 10.63 -34.49 2 6 1 56 400.506 4
Lo Low (pH 4.5-6) 3.06 12.86 -109.75 3 6 2 58 401.514 4

Activity (Go SEA)

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