UCSF

ZINC62950158

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 16 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 5.24 -41.38 2 3 1 39 223.34 7
Hi High (pH 8-9.5) 0.73 4.26 -4.63 1 3 0 34 222.332 7
Mid Mid (pH 6-8) 0.73 5.7 -100.23 3 3 2 40 224.348 7

Activity (Go SEA)

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