UCSF

ZINC37242875

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 15 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) -2.30 -3.38 -49.84 5 6 1 95 216.261 5
Hi High (pH 8-9.5) -2.11 -4.64 -54.57 4 6 0 101 215.253 5
Hi High (pH 8-9.5) -2.30 -3.76 -7.08 4 6 0 93 215.253 5

Activity (Go SEA)

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