UCSF

ZINC44253256

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 19 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) 3.61 5.14 -40.01 0 3 -1 48 302.709 3
Mid Mid (pH 6-8) 3.61 5.12 -8.3 1 3 0 46 303.717 3

Activity (Go SEA)

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