UCSF

ZINC34625035

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 21 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) 2.14 7.13 -109.42 4 4 2 51 314.857 7
Hi High (pH 8-9.5) 2.14 6.74 -37.38 3 4 1 49 313.849 7
Mid Mid (pH 6-8) 2.14 4.88 -45.93 3 4 1 49 313.849 7

Activity (Go SEA)

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