UCSF

ZINC45210409

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2010 30 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) 5.20 13.73 -105.33 3 4 2 40 412.618 13
Hi High (pH 8-9.5) 5.20 12.7 -36.63 2 4 1 35 411.61 13
Mid Mid (pH 6-8) 5.20 11.28 -43.52 2 4 1 38 411.61 13

Activity (Go SEA)

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