UCSF

ZINC13733489

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 28 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) 1.51 6.08 -18.84 1 7 0 69 380.448 5
Mid Mid (pH 6-8) 1.51 6.53 -39.45 2 7 1 70 381.456 5

Activity (Go SEA)

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