UCSF

ZINC44919442

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 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) 2.20 12.33 -56.31 1 5 1 45 392.523 5
Mid Mid (pH 6-8) 2.20 10.12 -12.84 0 5 0 44 391.515 5

Activity (Go SEA)

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