UCSF

ZINC02784683

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2004 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) 2.12 5.65 -12.02 1 4 0 43 253.252 2
Lo Low (pH 4.5-6) 2.12 5.76 -28.26 2 4 1 44 254.26 2

Activity (Go SEA)

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