UCSF

ZINC37140598

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 20 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) 0.60 2.38 -42.26 4 5 1 76 280.392 5
Hi High (pH 8-9.5) 0.60 1.29 -10.3 3 5 0 71 279.384 5
Lo Low (pH 4.5-6) 0.60 4.57 -109.81 5 5 2 77 281.4 5

Activity (Go SEA)

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