UCSF

ZINC44902358

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 26 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) 1.42 4.6 -17.53 2 8 0 96 375.454 5
Hi High (pH 8-9.5) 1.60 2.93 -44.91 1 8 -1 103 374.446 5

Activity (Go SEA)

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