UCSF

ZINC42205874

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 18 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) 3.10 6.9 -34.23 1 3 1 17 314.247 5
Hi High (pH 8-9.5) 3.10 4.62 -3.61 0 3 0 16 313.239 5
Mid Mid (pH 6-8) 3.10 6.9 -37.26 1 3 1 17 314.247 5

Activity (Go SEA)

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