UCSF

ZINC36780442

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 17 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) 2.47 0.7 -11 3 4 0 61 277.151 5
Mid Mid (pH 6-8) 2.47 1.45 -43.32 2 4 -1 64 276.143 5
Mid Mid (pH 6-8) 2.47 2.84 -36.79 3 4 0 69 277.151 5

Activity (Go SEA)

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