UCSF

ZINC37309415

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 18 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) 1.50 8.37 -90.05 1 5 0 62 247.298 4
Hi High (pH 8-9.5) 1.50 5.92 -55.46 0 5 -1 61 246.29 4
Lo Low (pH 4.5-6) 1.50 8.81 -114.14 2 5 1 64 248.306 4

Activity (Go SEA)

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