UCSF

ZINC37811472

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 18 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) 0.91 6.88 -96.39 3 4 2 41 269.414 4
Hi High (pH 8-9.5) 0.91 3.55 -9.48 1 4 0 36 267.398 4
Mid Mid (pH 6-8) 0.91 4.99 -42.79 2 4 1 40 268.406 4

Activity (Go SEA)

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