UCSF

ZINC34991942

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 21 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) 2.75 9.9 -30.38 2 3 1 20 288.459 6
Hi High (pH 8-9.5) 2.75 9.09 -34.02 2 3 1 23 288.459 6
Lo Low (pH 4.5-6) 2.75 10.95 -113.32 3 3 2 24 289.467 6

Activity (Go SEA)

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