UCSF

ZINC44233316

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 16 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 0.05 1.78 -55.99 4 2 1 48 238.204 4
Mid Mid (pH 6-8) 0.05 1.44 -6.98 3 2 0 46 237.196 4

Activity (Go SEA)

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