UCSF

ZINC45651553

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) 4.58 8.57 -36.01 2 2 1 20 289.487 5
Hi High (pH 8-9.5) 4.58 7.53 -1.28 1 2 0 15 288.479 5
Mid Mid (pH 6-8) 4.58 9.93 -31.05 2 2 1 16 289.487 5

Activity (Go SEA)

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