UCSF

ZINC36354732

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 20 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) 1.02 0.95 -10.92 2 7 0 97 273.248 2
Ref Reference (pH 7) 0.83 3.71 -13.15 2 7 0 93 273.248 2
Hi High (pH 8-9.5) 1.20 -1.64 -56.59 1 7 -1 103 272.24 2

Activity (Go SEA)

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