UCSF

ZINC36473263

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2009 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) 2.20 4.96 -41.51 1 4 -1 69 181.215 4
Mid Mid (pH 6-8) 2.20 4.97 -52.12 1 4 -1 69 181.215 4

Activity (Go SEA)

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