UCSF

ZINC53706495

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2010 14 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) 1.02 4.63 -49.16 3 3 1 44 194.302 4
Hi High (pH 8-9.5) 1.02 4.24 -4.3 2 3 0 42 193.294 4
Lo Low (pH 4.5-6) 1.02 4.9 -93.02 4 3 2 45 195.31 4

Activity (Go SEA)

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