UCSF

ZINC24876431

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2009 27 No

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) 3.69 10.92 -20.92 0 5 0 47 381.501 5
Lo Low (pH 4.5-6) 3.69 11.31 -39.57 1 5 1 49 382.509 5

Activity (Go SEA)

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