UCSF

ZINC40086054

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 25 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) 2.39 7.91 -11.41 0 6 0 51 342.443 5
Mid Mid (pH 6-8) 2.39 10.13 -52.48 1 6 1 52 343.451 5

Activity (Go SEA)

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