UCSF

ZINC02468617

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2004 27 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) 4.18 9.42 -55.49 3 5 1 49 391.898 6
Mid Mid (pH 6-8) 4.18 7.2 -11.68 2 5 0 48 390.89 6

Activity (Go SEA)

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