UCSF

ZINC34891753

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 35 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) 3.98 5.64 -70.92 2 10 -1 134 492.537 8
Lo Low (pH 4.5-6) 3.98 6.18 -21.41 3 10 0 132 493.545 8

Activity (Go SEA)

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