UCSF

ZINC62952847

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 15 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) 0.73 2.21 -105.86 5 3 2 52 216.369 5
Mid Mid (pH 6-8) 0.73 -0.08 -42.14 4 3 1 51 215.361 5

Activity (Go SEA)

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