UCSF

ZINC37856296

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.71 -1.25 -41.96 1 6 -1 91 333.798 4
Hi High (pH 8-9.5) 2.71 -1.2 -95.14 0 6 -2 93 332.79 4
Mid Mid (pH 6-8) 2.25 0.93 -37.28 1 6 -1 90 333.798 4
Mid Mid (pH 6-8) 2.25 0.8 -12.43 2 6 0 88 334.806 4

Activity (Go SEA)

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