UCSF

ZINC44242882

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 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) 2.88 4.57 -118.16 0 6 -2 101 369.196 4
Lo Low (pH 4.5-6) 2.88 4.52 -56.5 1 6 -1 99 370.204 4

Activity (Go SEA)

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