UCSF

ZINC61567973

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2011 16 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) 2.38 5.95 -41.65 2 3 1 29 221.324 3
Hi High (pH 8-9.5) 2.38 4.71 -3.43 1 3 0 24 220.316 3
Lo Low (pH 4.5-6) 2.38 4.66 -30.55 2 3 1 26 221.324 3

Activity (Go SEA)

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