UCSF

ZINC36137415

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 21 Yes

Download: MOL2 SDF SMILES Flexibase

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) 1.16 4.17 -77.7 3 6 -1 112 291.327 6
Lo Low (pH 4.5-6) 1.16 1.87 -16.65 4 6 0 109 292.335 6

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Rings

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