UCSF

ZINC01353680

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 21 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) 1.88 9.86 -33.22 1 3 0 45 301.308 4
Hi High (pH 8-9.5) 1.88 8.53 -45.86 0 3 -1 43 300.3 4

Activity (Go SEA)

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