UCSF

ZINC36886653

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 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) 0.03 -0.49 -46.03 5 5 1 75 267.328 5
Lo Low (pH 4.5-6) 0.03 1.78 -128 6 5 2 76 268.336 5
Lo Low (pH 4.5-6) 0.03 0.43 -45.04 5 5 1 72 267.328 5

Activity (Go SEA)

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