UCSF

ZINC37856312

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 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) 3.08 1.27 -42.8 1 5 -1 82 341.459 6
Hi High (pH 8-9.5) 2.62 3.58 -42.28 1 5 -1 81 341.459 6
Mid Mid (pH 6-8) 2.62 3.53 -10.6 2 5 0 79 342.467 6
Mid Mid (pH 6-8) 3.08 1.45 -103.81 0 5 -2 84 340.451 6

Activity (Go SEA)

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