UCSF

ZINC44245381

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) 3.18 2.83 -40.06 0 5 -1 70 378.174 5
Lo Low (pH 4.5-6) 3.18 2.83 -9.74 1 5 0 68 379.182 5

Activity (Go SEA)

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