UCSF

ZINC44919225

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 24 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) 2.09 6.06 -10.28 1 5 0 63 326.306 2
Ref Reference (pH 7) 1.90 8.7 -10.18 1 5 0 60 326.306 2
Lo Low (pH 4.5-6) 1.90 9.16 -43.92 2 5 1 61 327.314 2

Activity (Go SEA)

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