UCSF

ZINC19663750

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 17 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) 1.95 4.24 -43.37 3 3 1 40 237.367 7
Hi High (pH 8-9.5) 1.95 6.19 -34.71 3 3 1 40 237.367 7
Mid Mid (pH 6-8) 1.95 6.24 -127.49 4 3 2 41 238.375 7

Activity (Go SEA)

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