UCSF

ZINC37108420

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 0.23 5.75 -42.11 3 4 1 49 267.393 7
Mid Mid (pH 6-8) 0.23 6.08 -134.54 4 4 2 51 268.401 7

Activity (Go SEA)

Rings

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