UCSF

ZINC14049121

Substance Information

In ZINC since Heavy atoms Benign functionality
July 2nd, 2008 31 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) 2.69 10.84 -18.34 1 9 0 100 427.505 11
Mid Mid (pH 6-8) 2.69 11.35 -56.07 2 9 1 101 428.513 11

Activity (Go SEA)

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