UCSF

ZINC37789632

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 21 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) 0.40 1.93 -53.53 2 8 -1 124 310.311 5
Mid Mid (pH 6-8) 0.40 2.45 -97.57 1 8 -2 126 309.303 5

Activity (Go SEA)

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