UCSF

ZINC37823630

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 18 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) 1.53 4.8 -42.88 2 4 1 40 256.414 7
Mid Mid (pH 6-8) 1.53 7.01 -93.47 3 4 2 41 257.422 7

Activity (Go SEA)

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