UCSF

ZINC42978057

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 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) 1.37 6.06 -36.12 1 4 1 28 254.398 4
Hi High (pH 8-9.5) 1.37 3.79 -7.48 0 4 0 27 253.39 4

Activity (Go SEA)

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