UCSF

ZINC44132887

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 21 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) 2.97 7.08 -33.28 2 3 1 28 291.459 5
Hi High (pH 8-9.5) 2.97 4.86 -3.05 1 3 0 27 290.451 5
Lo Low (pH 4.5-6) 2.97 6.61 -32.17 2 3 1 28 291.459 5

Activity (Go SEA)

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