UCSF

ZINC26481717

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 30 Yes

Popular Name: (2S,3aS,7aS)-1-[(4R)-4-[[(2R)-2,6-diaminohexanoyl]amino]-5-hydroxy-5-oxo-pentanoyl]-2,3,3a,4,5,6,7,7 (2S,3aS,7aS)-1-[(4R)-4-[[(2R)-2,…

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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) -3.62 2.66 -132.53 7 10 0 185 426.514 11 ↓
Hi High (pH 8-9.5) -3.62 2.33 -129.35 6 10 -1 183 425.506 11 ↓

Activity (Go SEA)

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