UCSF

ZINC34677915

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 27 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) 2.28 5.11 -48.08 2 6 1 63 375.468 7
Mid Mid (pH 6-8) 2.28 5.16 -47.23 2 6 1 63 375.468 7
Mid Mid (pH 6-8) 2.28 2.86 -8.1 1 6 0 62 374.46 7

Activity (Go SEA)

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