UCSF

ZINC03650859

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 14 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) -4.13 -10.85 -13.23 6 7 0 138 210.182 6
Hi High (pH 8-9.5) -4.13 -10.09 -58.14 5 7 -1 141 209.174 6

Activity (Go SEA)

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