UCSF

ZINC01020478

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2004 23 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) 4.09 -0.24 -55.68 1 4 -1 68 348.209 5
Lo Low (pH 4.5-6) 4.09 -0.06 -58.27 2 4 0 70 349.217 5

Activity (Go SEA)

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