UCSF

ZINC45653665

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 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) 2.47 9.13 -85.09 3 3 2 21 289.467 5
Hi High (pH 8-9.5) 2.47 6.66 -36.21 2 3 1 20 288.459 5
Mid Mid (pH 6-8) 2.47 7.82 -111.61 3 3 2 24 289.467 5

Activity (Go SEA)

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