UCSF

ZINC00888441

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2004 25 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) 4.16 8.8 -9.46 3 4 0 68 353.491 4
Lo Low (pH 4.5-6) 4.16 9.05 -33.72 4 4 1 69 354.499 4

Activity (Go SEA)

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