UCSF

ZINC19561658

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2008 26 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) 1.46 5.22 -18.58 2 7 0 79 377.514 7
Mid Mid (pH 6-8) 1.46 7.27 -59.33 3 7 1 81 378.522 7

Activity (Go SEA)

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