UCSF

ZINC25463871

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 27 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) 2.61 4.42 -59.24 1 9 -1 130 388.381 7
Mid Mid (pH 6-8) 2.61 4.35 -20.1 2 9 0 127 389.389 7

Activity (Go SEA)

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