UCSF

ZINC40950238

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 19 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) 1.13 8.87 -41.03 3 6 1 63 265.385 4
Mid Mid (pH 6-8) 1.13 6.52 -6.97 2 6 0 62 264.377 4
Lo Low (pH 4.5-6) 1.13 9.26 -78.56 4 6 2 64 266.393 4
Lo Low (pH 4.5-6) 1.13 9.23 -87.48 4 6 2 64 266.393 4

Activity (Go SEA)

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