UCSF

ZINC37241657

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 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) 2.53 5.93 -30.93 2 2 1 16 197.346 4
Hi High (pH 8-9.5) 2.52 3.62 -0.64 1 2 0 15 196.338 4
Lo Low (pH 4.5-6) 2.53 7.13 -106.88 3 2 2 21 198.354 4
Lo Low (pH 4.5-6) 2.53 4.82 -36.28 2 2 1 20 197.346 4

Activity (Go SEA)

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