UCSF

ZINC37161581

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 19 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) 1.64 6.3 -33.32 3 4 1 46 268.425 5
Hi High (pH 8-9.5) 1.64 3.94 -6.31 2 4 0 44 267.417 5
Lo Low (pH 4.5-6) 1.64 5.67 -95.31 4 4 2 50 269.433 5

Activity (Go SEA)

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