UCSF

ZINC37255164

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 19 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) 3.61 9.58 -49.71 2 3 1 34 258.389 4
Hi High (pH 8-9.5) 3.61 8.2 -8.26 1 3 0 29 257.381 4
Lo Low (pH 4.5-6) 3.61 10.03 -100.26 3 3 2 35 259.397 4

Activity (Go SEA)

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