UCSF

ZINC39323760

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 26 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) 5.03 8.94 -9.04 3 4 0 68 365.502 3
Mid Mid (pH 6-8) 5.03 9.32 -33.16 4 4 1 69 366.51 3

Activity (Go SEA)

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