UCSF

ZINC14246813

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2008 34 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) 2.95 12.16 -24.7 2 11 0 141 476.522 7
Hi High (pH 8-9.5) 2.95 11.68 -43.16 1 11 -1 139 475.514 7

Activity (Go SEA)

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