UCSF

ZINC37000366

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 21 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) 4.33 7.85 -6.88 1 3 0 30 348.24 5
Mid Mid (pH 6-8) 4.33 8.89 -48.72 2 3 1 35 349.248 5

Activity (Go SEA)

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