UCSF

ZINC34924567

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 15 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) 1.88 5.31 -113.71 4 2 2 32 212.381 2
Mid Mid (pH 6-8) 1.88 3.56 -39.55 3 2 1 31 211.373 2

Activity (Go SEA)

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