UCSF

ZINC37983581

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 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) 1.58 6.84 -15.44 1 6 0 73 299.721 3
Hi High (pH 8-9.5) 1.65 5.11 -39.72 0 6 -1 79 298.713 3
Lo Low (pH 4.5-6) 1.58 7.41 -39.88 2 6 1 74 300.729 3

Activity (Go SEA)

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