UCSF

ZINC00698779

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 39 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 16.08 -12.86 0 6 0 57 521.661 9
Lo Low (pH 4.5-6) 4.16 17.71 -51.72 1 6 1 58 522.669 9

Activity (Go SEA)

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