UCSF

ZINC37085658

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) 2.21 4.92 -41.87 2 5 1 61 268.333 7
Mid Mid (pH 6-8) 2.21 3.72 -7.84 1 5 0 57 267.325 7

Activity (Go SEA)

Rings

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