UCSF

ZINC42854053

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 29 No

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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) -3.80 -1.53 -97.04 7 15 0 223 431.302 5
Hi High (pH 8-9.5) -3.80 -1.91 -58.84 6 15 -1 222 430.294 5

Activity (Go SEA)

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