UCSF

ZINC70568440

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2011 13 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) 2.98 4.51 -6.39 1 2 0 36 180.295 3
Mid Mid (pH 6-8) 2.98 5.52 -43.14 2 2 1 40 181.303 3

Activity (Go SEA)

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