UCSF

ZINC13689273

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 29 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) 2.10 1.46 -25.74 1 9 0 119 440.499 6
Hi High (pH 8-9.5) 2.10 1.54 -70.12 0 9 -1 121 439.491 6

Activity (Go SEA)

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