UCSF

ZINC38735353

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2010 32 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) 0.99 5.19 -132.72 7 9 2 138 469.966 14
Hi High (pH 8-9.5) 0.99 4.74 -59.15 6 9 1 137 468.958 14
Hi High (pH 8-9.5) 0.99 4.74 -65.07 6 9 1 137 468.958 14

Activity (Go SEA)

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