UCSF

ZINC69697386

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 18 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) 1.31 2.49 -31.99 3 4 1 48 257.398 4
Mid Mid (pH 6-8) 1.31 0.19 -3.67 2 4 0 47 256.39 4
Mid Mid (pH 6-8) 1.31 1.89 -31.88 3 4 1 48 257.398 4

Activity (Go SEA)

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