UCSF

ZINC49976317

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2010 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) 0.38 5.97 -12.6 1 7 0 69 371.485 5
Mid Mid (pH 6-8) 0.38 8.11 -48.2 2 7 1 70 372.493 5
Lo Low (pH 4.5-6) 0.38 8.58 -91.28 3 7 2 71 373.501 5

Activity (Go SEA)

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