UCSF

ZINC11215424

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2007 35 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) 4.15 10.09 -15.83 1 9 0 104 489.557 7
Hi High (pH 8-9.5) 4.22 9.16 -49.53 0 9 -1 111 488.549 7

Activity (Go SEA)

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