UCSF

ZINC44167622

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 32 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) 4.82 12.05 -15.51 1 6 0 78 428.536 5
Lo Low (pH 4.5-6) 4.82 12.46 -47.74 2 6 1 79 429.544 5

Activity (Go SEA)

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