UCSF

ZINC35099750

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 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) 0.24 3.69 -49.27 2 5 1 49 310.443 5
Hi High (pH 8-9.5) 0.24 2.34 -9.19 1 5 0 45 309.435 5
Lo Low (pH 4.5-6) 0.24 4.6 -43.08 2 5 1 46 310.443 5
Lo Low (pH 4.5-6) 0.24 5.95 -128.25 3 5 2 51 311.451 5

Activity (Go SEA)

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