UCSF

ZINC45655712

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 17 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) 1.44 6.94 -78.45 3 3 2 21 239.407 4
Hi High (pH 8-9.5) 1.44 2.09 -1.24 1 3 0 19 237.391 4
Hi High (pH 8-9.5) 1.44 4.48 -30.71 2 3 1 20 238.399 4

Activity (Go SEA)

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