UCSF

ZINC21041345

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 1.98 2.6 -11.44 1 4 0 49 310.463 7
Hi High (pH 8-9.5) 1.98 3.82 -56.86 2 4 1 54 311.471 7
Mid Mid (pH 6-8) 1.98 5.95 -149.16 3 4 2 55 312.479 7

Activity (Go SEA)

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