UCSF

ZINC44244977

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 20 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) 1.32 2.11 -12.46 1 6 0 79 364.265 6
Hi High (pH 8-9.5) 1.32 1.98 -43.22 0 6 -1 81 363.257 6

Activity (Go SEA)

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