UCSF

ZINC02986468

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2004 33 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) 3.42 -6.73 -22.17 2 11 0 156 493.519 9
Hi High (pH 8-9.5) 3.42 -6.19 -55.64 1 11 -1 158 492.511 9
Hi High (pH 8-9.5) 3.42 -6.23 -56.1 1 11 -1 158 492.511 9
Hi High (pH 8-9.5) 3.42 -5.69 -111.38 0 11 -2 160 491.503 9

Activity (Go SEA)

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