UCSF

ZINC32139329

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 14 Yes

Download: MOL2 SDF SMILES Flexibase

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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) 0.09 1.27 -42.6 2 5 1 49 202.278 4
Hi High (pH 8-9.5) 0.09 -0.24 -6.24 1 5 0 45 201.27 4
Mid Mid (pH 6-8) 0.09 3.68 -96.24 3 5 2 51 203.286 4

Activity (Go SEA)

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