UCSF

ZINC36889737

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 18 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) 2.74 9.38 -48.02 3 4 1 48 267.784 5
Hi High (pH 8-9.5) 2.74 7.28 -7.13 2 4 0 47 266.776 5
Lo Low (pH 4.5-6) 2.74 9.84 -97.07 4 4 2 50 268.792 5

Activity (Go SEA)

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