UCSF

ZINC13628786

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 30 No

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) 2.91 10.3 -24.49 1 8 0 110 429.86 6
Hi High (pH 8-9.5) 3.43 8.94 -45.91 0 8 -1 117 428.852 6

Activity (Go SEA)

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