UCSF

ZINC36646470

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 26 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) 2.76 5.91 -47.76 3 6 1 69 365.542 6
Hi High (pH 8-9.5) 2.76 4.74 -13.63 2 6 0 65 364.534 6
Mid Mid (pH 6-8) 2.76 8.06 -107.61 4 6 2 70 366.55 6

Activity (Go SEA)

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