UCSF

ZINC21794579

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 29 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) 1.56 9.57 -49.55 1 7 1 57 395.531 3
Mid Mid (pH 6-8) 1.56 7.1 -12.2 0 7 0 56 394.523 3
Lo Low (pH 4.5-6) 1.56 9.83 -93.81 2 7 2 58 396.539 3

Activity (Go SEA)

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