UCSF

ZINC37246771

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 15 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) 0.59 2.34 -31.37 2 3 1 20 212.361 2
Hi High (pH 8-9.5) 0.59 2.55 -33.08 2 3 1 20 212.361 2
Lo Low (pH 4.5-6) 0.59 4.74 -95.25 3 3 2 21 213.369 2
Lo Low (pH 4.5-6) 0.59 6.06 -184.02 4 3 3 25 214.377 2

Activity (Go SEA)

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