UCSF

ZINC13777349

Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 2008 23 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) 6.04 8.9 -8.96 1 3 0 45 367.232 2
Ref Reference (pH 7) 5.55 8.81 -40.02 0 3 -1 44 366.224 3
Hi High (pH 8-9.5) 6.50 6.91 -43.47 0 3 -1 48 366.224 2

Activity (Go SEA)

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