UCSF

ZINC21005081

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 28 No

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) 1.48 8.95 -13.74 0 6 0 61 381.476 4
Mid Mid (pH 6-8) 1.48 11.28 -50.33 1 6 1 62 382.484 4
Lo Low (pH 4.5-6) 1.48 11.08 -50.27 1 6 1 62 382.484 4
Lo Low (pH 4.5-6) 1.48 11.15 -50.32 1 6 1 62 382.484 4

Activity (Go SEA)

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