UCSF

ZINC70513816

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 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) 1.86 4.02 -78.32 4 4 2 45 299.503 6
Hi High (pH 8-9.5) 1.86 2.68 -33.23 3 4 1 40 298.495 6
Lo Low (pH 4.5-6) 1.86 6.19 -177.11 5 4 3 46 300.511 6

Activity (Go SEA)

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