UCSF

ZINC40052131

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 35 No

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) 1.88 4.99 -70.4 3 9 -1 142 479.509 12
Lo Low (pH 4.5-6) 1.88 4.24 -25.16 4 9 0 139 480.517 12

Activity (Go SEA)

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