UCSF

ZINC53301786

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2010 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) 1.88 6.93 -51.7 3 3 1 45 244.362 4
Hi High (pH 8-9.5) 1.88 6.54 -6.17 2 3 0 44 243.354 4
Lo Low (pH 4.5-6) 1.88 7.35 -109.18 4 3 2 47 245.37 4

Activity (Go SEA)

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