UCSF

ZINC42897275

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 21 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) 4.04 9.79 -8.3 2 4 0 53 301.777 4
Mid Mid (pH 6-8) 4.04 10.26 -31.69 3 4 1 54 302.785 4

Activity (Go SEA)

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