UCSF

ZINC12602880

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2008 36 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) 2.76 15.01 -19.43 0 9 0 91 487.56 10
Mid Mid (pH 6-8) 2.76 15.52 -56.44 1 9 1 93 488.568 10

Activity (Go SEA)

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