UCSF

ZINC37996320

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 20 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) 4.11 9.88 -49.1 2 2 1 40 334.212 4
Mid Mid (pH 6-8) 4.11 8.72 -5.83 1 2 0 36 333.204 4

Activity (Go SEA)

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