UCSF

ZINC13152702

Substance Information

In ZINC since Heavy atoms Benign functionality
May 31st, 2008 21 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) 0.70 6.48 -17.86 1 6 0 79 305.359 3
Hi High (pH 8-9.5) 0.88 5.12 -48.18 0 6 -1 86 304.351 3

Activity (Go SEA)

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