UCSF

ZINC36360258

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 28 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) 2.96 7.8 -13.13 1 6 0 69 373.412 5
Ref Reference (pH 7) 2.78 10.47 -13.5 1 6 0 65 373.412 5
Mid Mid (pH 6-8) 2.78 10.93 -47.61 2 6 1 67 374.42 5

Activity (Go SEA)

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