UCSF

ZINC43261103

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 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) 3.01 6.54 -47.88 3 3 1 44 369.352 7
Hi High (pH 8-9.5) 3.01 6.3 -5.03 2 3 0 42 368.344 7
Mid Mid (pH 6-8) 3.01 7 -95.03 4 3 2 45 370.36 7

Activity (Go SEA)

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