UCSF

ZINC21171066

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2008 22 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) 4.53 11.69 -34.73 1 3 1 22 300.47 5
Mid Mid (pH 6-8) 4.53 9.48 -7.71 0 3 0 21 299.462 5
Mid Mid (pH 6-8) 4.53 10.16 -22.34 1 3 1 22 300.47 5
Lo Low (pH 4.5-6) 4.53 12.32 -96.54 2 3 2 24 301.478 5

Activity (Go SEA)

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