UCSF

ZINC49052340

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 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) -4.90 -6.1 -361.91 4 18 -4 295 480.112 9
Mid Mid (pH 6-8) -4.90 -7.26 -225.29 5 18 -3 292 481.12 9

Activity (Go SEA)

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