UCSF

ZINC62101385

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2011 19 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) 2.01 3.99 -11.63 1 4 0 49 301.173 3
Mid Mid (pH 6-8) 2.01 5.99 -53.6 2 4 1 51 302.181 3

Activity (Go SEA)

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