UCSF

ZINC37101428

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 18 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 4.99 -33.22 2 4 1 52 257.342 3
Mid Mid (pH 6-8) 2.69 4.64 -10.99 1 4 0 51 256.334 3

Activity (Go SEA)

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