UCSF

ZINC37851787

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 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 4.86 -121.83 4 4 2 51 309.237 8
Hi High (pH 8-9.5) 2.10 0.96 -6.49 2 4 0 45 307.221 8
Mid Mid (pH 6-8) 2.10 3.44 -40.16 3 4 1 46 308.229 8

Activity (Go SEA)

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