UCSF

ZINC37299604

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 20 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) 0.99 4.28 -116.27 5 5 2 70 279.384 8
Mid Mid (pH 6-8) 0.99 3.9 -40.55 4 5 1 69 278.376 8

Activity (Go SEA)

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