UCSF

ZINC35312110

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 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) 1.59 3.28 -42.18 3 5 1 58 298.451 7
Hi High (pH 8-9.5) 1.59 2.14 -9.34 2 5 0 54 297.443 7
Lo Low (pH 4.5-6) 1.59 5.56 -107.45 4 5 2 59 299.459 7
Lo Low (pH 4.5-6) 1.59 4.4 -40.72 3 5 1 55 298.451 7

Activity (Go SEA)

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