UCSF

ZINC19826473

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 30 No

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) 3.66 8.87 -46.53 3 6 1 69 407.538 8
Hi High (pH 8-9.5) 3.66 6.63 -17.34 2 6 0 68 406.53 8
Mid Mid (pH 6-8) 3.66 8.95 -47.94 3 6 1 69 407.538 8

Activity (Go SEA)

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