UCSF

ZINC34628646

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 15 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) 2.40 6.88 -12.5 0 2 0 30 199.253 3
Lo Low (pH 4.5-6) 2.40 7.32 -33.16 1 2 1 31 200.261 3

Activity (Go SEA)

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